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N73

Summary
Name:(2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide
Formula:C20 H24 N2 O5 S
Formal charge:0
Formula weight:404.48 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H24N2O5S/c1-14(2)19(20(23)21-24)22(27-15(3)4)28(25,26)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-15,19H,1-4H3/t19-/m1/s1
InChIKeyInChI1.03JYURKDGMICGTJM-LJQANCHMSA-N
SMILES_CANONICALCACTVS3.385CC(C)ON([C@H](C(C)C)C(=O)N=O)[S](=O)(=O)c1ccc(cc1)c2ccccc2
SMILESCACTVS3.385CC(C)ON([CH](C(C)C)C(=O)N=O)[S](=O)(=O)c1ccc(cc1)c2ccccc2
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)[C@H](C(=O)N=O)N(OC(C)C)S(=O)(=O)c1ccc(cc1)c2ccccc2
SMILESOpenEye OEToolkits2.0.7CC(C)C(C(=O)N=O)N(OC(C)C)S(=O)(=O)c1ccc(cc1)c2ccccc2

223532

PDB entries from 2024-08-07

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